UCSF

ZINC66066536

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.49 9.91 -10.24 1 3 0 46 286.334 2
Lo Low (pH 4.5-6) 4.49 9.34 -32.88 2 3 1 47 287.342 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.